N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide

C20H19F3N4O2 — CID 71921793

IUPACN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C20H19F3N4O2/c21-15-5-4-13(27-9-7-24-20(27)29)10-14(15)19(28)25-12-6-8-26(11-12)18-16(22)2-1-3-17(18)23/h1-5,10,12H,6-9,11H2,(H,24,29)(H,25,28)
InChIKeyXZYIWYBUTNCIDD-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide

N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 71921793) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID71921793
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(NC1CCN(c2c(F)cccc2F)C1)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C20H19F3N4O2/c21-15-5-4-13(27-9-7-24-20(27)29)10-14(15)19(28)25-12-6-8-26(11-12)18-16(22)2-1-3-17(18)23/h1-5,10,12H,6-9,11H2,(H,24,29)(H,25,28)
InChIKeyXZYIWYBUTNCIDD-UHFFFAOYSA-N
XLogP2.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229675
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428604
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119459042
2-fluoro-N-(3-methylpiperidin-4-yl)-5-(2-oxoimidazolidin-1-yl)benzamide
CID 120556656
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 97076609
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119171429
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 97052502
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 51100170
2-(3-acetamidopyrrolidin-1-yl)-3-fluorobenzoic acid
CID 113402378

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide (CID 71921793) is N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide is O=C(NC1CCN(c2c(F)cccc2F)C1)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is XZYIWYBUTNCIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-15-5-4-13(27-9-7-24-20(27)29)10-14(15)19(28)25-12-6-8-26(11-12)18-16(22)2-1-3-17(18)23/h1-5,10,12H,6-9,11H2,(H,24,29)(H,25,28).
What are the key properties of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide?
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 404.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 71921793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).